1X7G
 
 | | Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | | Deposit date: | 2004-08-13 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity
Biochemistry, 43, 2004
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1X7H
 | | Actinorhodin Polyketide Ketoreductase, with NADPH bound | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative ketoacyl reductase | | Authors: | Korman, T.P, Hill, J.A, Vu, T.N. | | Deposit date: | 2004-08-13 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity
Biochemistry, 43, 2004
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3L6E
 | | Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas hydrophila subsp. hydrophila ATCC 7966 | | Descriptor: | Oxidoreductase, short-chain dehydrogenase/reductase family, SULFATE ION | | Authors: | Malashkevich, V.N, Patskovsky, Y, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-12-23 | | Release date: | 2010-02-09 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of putative short chain dehydrogenase/reductase family oxidoreductase from Aeromonas
hydrophila subsp. hydrophila ATCC 7966
To be Published
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3LF2
 | | NADPH Bound Structure of the Short Chain Oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 Containing an Atypical Catalytic Center | | Descriptor: | CHLORIDE ION, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Huether, R, Umland, T.C, Duax, W.L. | | Deposit date: | 2010-01-15 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The short-chain oxidoreductase Q9HYA2 from Pseudomonas aeruginosa PAO1 contains an atypical catalytic center.
Protein Sci., 19, 2010
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1Y5M
 | | The crystal structure of murine 11b-hydroxysteroid dehydrogenase: an important therapeutic target for diabetes | | Descriptor: | Corticosteroid 11-beta-dehydrogenase, isozyme 1, N-OCTANE, ... | | Authors: | Zhang, J, Osslund, T.D, Plant, M.H, Clogston, C.L, Nybo, R.E, Xiong, F, Delaney, J.M, Jordan, S.R. | | Deposit date: | 2004-12-02 | | Release date: | 2005-05-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Murine 11-Hydroxysteroid Dehydrogenase 1: An Important Therapeutic Target for Diabetes
Biochemistry, 44, 2005
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1SO8
 | | Abeta-bound human ABAD structure [also known as 3-hydroxyacyl-CoA dehydrogenase type II (Type II HADH), Endoplasmic reticulum-associated amyloid beta-peptide binding protein (ERAB)] | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type II, CHLORIDE ION, SODIUM ION | | Authors: | Lustbader, J.W, Cirilli, M, Wu, H. | | Deposit date: | 2004-03-13 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | ABAD directly links Abeta to mitochondrial toxicity in Alzheimer's disease.
Science, 304, 2004
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2RH4
 | | Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin | | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Korman, T.P, Tsai, S.-C. | | Deposit date: | 2007-10-05 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase
Biochemistry, 47, 2008
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3LF1
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3TPC
 | | Crystal structure of a hypothtical protein SMa1452 from Sinorhizobium meliloti 1021 | | Descriptor: | Short chain alcohol dehydrogenase-related dehydrogenase | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-09-07 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of a hypothtical protein SMa1452 from Sinorhizobium meliloti 1021
To be Published
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4XWY
 | | Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue | | Descriptor: | N-[2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl]-2-methoxyacetamide, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Johnsson, K, Hovius, R, Gorszka, K.I, Pojer, F. | | Deposit date: | 2015-01-29 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
Neuron, 86, 2015
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5PGU
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4Z3K
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3CZR
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor | | Descriptor: | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2008-04-29 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
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5PGV
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE | | Descriptor: | 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2017-02-06 | | Release date: | 2017-11-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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3CH6
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4IJV
 | | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine | | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2012-12-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
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4IJW
 | | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine | | Descriptor: | 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl[1,2,4]triazolo[4,3-a]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2012-12-23 | | Release date: | 2014-06-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
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4IJU
 | | Crystal structure of 11b-HSD1 double mutant (L262R, F278E) in complex with (1S,4S)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol | | Descriptor: | (1s,4s)-4-[8-(2-fluorophenoxy)[1,2,4]triazolo[4,3-a]pyridin-3-yl]bicyclo[2.2.1]heptan-1-ol, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | | Authors: | Sheriff, S. | | Deposit date: | 2012-12-23 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11 beta-Hydroxysteroid Dehydrogenase Type 1 (11 beta-HSD-1).
ACS Med Chem Lett, 5, 2014
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5PGW
 | | CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3- HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | | Descriptor: | 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sheriff, S. | | Deposit date: | 2017-02-06 | | Release date: | 2017-11-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
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1GZ6
 | | (3R)-HYDROXYACYL-COA DEHYDROGENASE FRAGMENT OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 2 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ESTRADIOL 17 BETA-DEHYDROGENASE 4, SULFATE ION | | Authors: | Haapalainen, A.M, Hiltunen, J.K, Glumoff, T. | | Deposit date: | 2002-05-16 | | Release date: | 2003-01-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Binary Structure of the Two-Domain (3R)-Hydroxyacyl-Coa Dehydrogenase from Rat Peroxisomal Multifunctional Enzyme Type 2 at 2.38 A Resolution
Structure, 11, 2003
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1B14
 | | Alcohol Dehydrogenase from Drosophila Lebanonensis Binary Complex with NAD+ | | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | | Deposit date: | 1998-11-25 | | Release date: | 1999-11-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
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3SJU
 | | Hedamycin Polyketide Ketoreductase bound to NADPH | | Descriptor: | Keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Javidpour, P, Tsai, S.-C. | | Deposit date: | 2011-06-21 | | Release date: | 2011-09-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Biochemical Studies of the Hedamycin Type II Polyketide Ketoreductase (HedKR): Molecular Basis of Stereo- and Regiospecificities.
Biochemistry, 50, 2011
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8CVN
 | | Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine | | Authors: | Huang, W, Taylor, D.J. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-01 | | Last modified: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
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5ILG
 | | Crystal structure of photoreceptor dehydrogenase from Drosophila melanogaster | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hofmann, L, Tsybovsky, Y, Banerjee, S. | | Deposit date: | 2016-03-04 | | Release date: | 2016-11-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights into the Drosophila melanogaster Retinol Dehydrogenase, a Member of the Short-Chain Dehydrogenase/Reductase Family.
Biochemistry, 55, 2016
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4HWK
 | | Crystal structure of human sepiapterin reductase in complex with sulfapyridine | | Descriptor: | 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Groenlund Pedersen, M, Pojer, F, Johnsson, K. | | Deposit date: | 2012-11-08 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
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